Basic information
- CAS
141-64-0- Standard SMILES
CC(C)(C)CC(C)(C)CC=CCCl- InChIKey
DVOYYVNTAWFQAV-UHFFFAOYSA-N- Molecular formula
- C12H23Cl
- Average molar mass
- 202.76 g/mol
- Monoisotopic mass
- 202.14882842
Names & identifiers
- Preferred name
- 1-Chloro-5,5,7,7-tetramethyl-2-octene
- IUPAC
- 1-chloro-5,5,7,7-tetramethyloct-2-ene
- English name
- (E)-1-chloro-5,5,7,7-tetramethyloct-2-ene
- Molecular formula
- C12H23Cl
- Molecular weight
- 202.76402
Names & synonyms
1-CHLORO-5,5,7,7-TETRAMETHYL-2-OCTENE141-64-0RefChem:75425666-636-11-chloro-5,5,7,7-tetramethyloct-2-eneSCHEMBL8849854DVOYYVNTAWFQAV-UHFFFAOYSA-NDTXSID701286321(E)-1-chloro-5,5,7,7-tetramethyloct-2-ene
Database identifiers
- CAS
141-64-0- PubChem CID
- 135970
- DTXSID
DTXSID701286321- EC Number
- 666-636-1
Properties
Computed structural properties
- XLogP
- 5
- Topological polar surface area
- 0 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 0
- Rotatable bonds
- 5
- Heavy atoms
- 13
- Formal charge
- 0
- Complexity
- 160
Physicochemical properties
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302-H413
- Precautionary statements
- 264 · P264-P270-P301+P312-P330-P501
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
GHS classification
GHS Classification
Warning
H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]
P264, P270, P273, P301+P317, P330, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 39 reports by companies from 1 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Hazard information
Hazard Classes and CategoriesAcute Tox. 4 (100%)
Safety data
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H302-H413
- Precautionary statements
- P264-P270-P301+P312-P330-P501
Chemistry & industry
Applications
Uses1-Chloro-5,5,7,7-tetramethyl-2-octene is a useful research chemical used as a reactant in the alkylation of aliphatic ketones.
Suppliers1 total
西格玛奥德里奇（上海）贸易有限公司21-20338288 · [email protected]
Related reactions
4 records
Compound notes
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